UCSF

ZINC54827970

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.11 1.43 -14.51 1 4 0 70 242.344 2
Mid Mid (pH 6-8) 1.11 2.34 -61.41 2 4 1 75 243.352 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.